Leveraging protein DNA/RNA interactions in drug discovery
Posted
by Andy Smith
on
Computational processing of DNA/RNA – protein complexes
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Data-driven Generation of Perturbation Networks for Relative Binding Free Energy Calculations
Posted by Mark Mackey onAn interesting approach to combining deep learning and free energy calculations
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Flexible software and consulting solutions for academics
Posted by Rachel Cliffe onFor Masters and PhD students, academic research, lecturers and research insight
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Identifying novel inhibitors against tuberculosis
Posted by Scott Midgley onFragment-based drug discovery is an evolving area of research with unique challenges in developing the hits into lead molecules. In ...
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Using molecular dynamics to produce an ensemble of protein conformations for more biologically-relevant docking experiments
Posted by Ryuichiro Hara onEnsemble Docking with Molecular Dynamics Proteins in Flare™
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Scaling structure-based drug design with machine learning
Posted by Mark Mackey on"In the next 5–10 years future innovation will be a clever blend of FEP and artificial intelligence"
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September 2022 newsletter
Posted by Sue Peffer onIntroducing Hit Expander and a sneak peek at Flare V6.1; molecular modeling to deliver corporate objectives
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Hit Expander: A new method to rapidly assess and step through the hit-to-lead process with minimal expenditure on wet-chemistry
Posted by Mark Mackey onA quick, easy and accurate method to explore SAR with confidence
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Sneak Peek at Flare V6.1 for medicinal chemists
Posted by Giovanna Tedesco onIncludes easier movie production to share results more easily, and identification of gaps in chemical exploration strategy
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Sneak peek at Flare V6.1 for computational chemists and power users
Posted by Giovanna Tedesco onIntroduction to upcoming new features, including ability to perform rapid exploration around a single hit or lead compound using Hit ...
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Cresset secures significant growth funding from SEP
Posted by Sue Peffer onGrowth capital raised from SEP to accelerate product development and international expansion
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Her Majesty Queen Elizabeth II
Posted by Sue Peffer onWe offer our condolences to His Majesty the King and the Royal Family at the passing of Her Majesty Queen ...